Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMGACVCVHVFRLLLCSRFFLFAVPSSSPAPPSRVSCPSSQKAFLRARVCVPRRASRCGSGSSRHRAPVARIRTFTRIAHSPKALSKYCPFTPLSTSSCFSRFAFFRPPFPLPTLQVMSEKSVRSRRPLSVSRASARASAASRPQLHRTVSSDGASPSQATAPMYRPLRYVGRGSFGVVLLAEEVHTGVKVAIKRVHYDARLHNREVAILNSVLVDNPRHQQPSHTVVDSNDASRLPGGAARASSTSFLSASSSSHTVEDVHLWPGTHHPNIVELLDFYVTYDTASSEQALGPDMVGVGGASAGFESLPSHHPAAHRYPLSGGSGAASTNAPPVSAPLAAFAYLEMVMSYLPMDLCYVKKYYFRFHDMPTMVTSSSPSPLASPEQAAAELLSGELPEGTADRPPASPKHAGTGCNGSNSSRHSSTGGSGGDAFNHLPLRWVKVVLFQLARALAFMHVRHVCHRDLKPANVLVDPDTGRVQVCDFGSAKQIARPAEEKNVSYICSRYYRAPELLFGALHYGCAVDMWSFGCIAAELLRESGKPLFRGCTSIDQMAELFKVLGAPSKREMYAMNPQCAEALLRTRAMHRHQSLDTDPHSGSGGGVRQDRSCGLELEVDYQAEEEDDVELRGGAQQGGYDVDGHGDFLRDALDDGISSQASASPGMATASPPSSCTKDPRDYKTAFSAPPSTAATATLDDVAPTPFEEYYDVLKVHAIPWRRLFPADTPTEAVALVASLLCYAPDKRLTAAELVEHPFFDDLFSAADAQLGAVGRDTATAMASGTTNSPSEDDGVASAALRLPNGRLMPLSMFQVTEVERGLYTDAFLTRMARQAELVAAAMKQDEYP
1J1B Chain:B (44-282)-------------------------------------------------------------------------------------------------------------------------------------------------------PGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRE------------------------------------------------------LQIMRKLDHCNIVRLRYFFYSSGEKK-----------------------------------------------------DEVYLNLVLDYVPETVYRVARHYSRA-------------------------------------------------------------------KQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRG--EPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLL--GQPIFPGDSGVDQLVEIIKVLGTPTREQIR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Receptor file (based on 1J1B) :1J1B_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1J1B
Information :PDB TRANSFERASE 03-DEC-02 XXXX

Ligand:

Ligand pdb file :1J1B_ANP_D_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ANP_D_4
Ligand Type:non-polymer
Ligand Weight:506.199
Ligand Info:PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Cofactor(s):
1J1B/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1J1B_ANP_D_4_Into_1J1B_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):2.00 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):2.58 [pKd]
Docking affinity (XScore Software):8.92 [pKd]
Docking affinity (DSX-Score Software):6.46 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):5.0 [pKd]

Useful files:

Alignment file with ligand : complex.pir